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2,118 results for “Metal”
Computation-Ready Experimental Metal-Organic Framework (CoRE MOF) 2014 DDEC Database
<p>~2,900 structures CoRE MOF 2014 structures with DDEC partial atomic charges. </p> <p> </p>
Polymer-assisted modification of metal-organic framework MIL-96 (Al): influence on particle size, crystal morphology and perfluorooctanoic acid (PFOA) removal
<p>Dataset supporting publication.</p> <p><strong>Polymer-assisted modification of metal-organic framework MIL-96 (Al): influence of HPAM concentration on particle size, crystal morphology and removal of harmful environmental pollutant PFOA</strong></p> <p>Chemosphere, <a href="https://doi.org/10.1016/j.chemosphere.2020.128072">https://doi.org/10.1016/j.chemosphere.2020.128072</a></p> <p>Preprint available from ChemRxiv, <a href="https://doi.org/10.26434/chemrxiv.12262010.v2">https://doi.org/10.26434/chemrxiv.12262010.v2</a></p> <p><strong>Abstract</strong></p> <p>A new synthesis method was developed to prepare an aluminum-based metal organic framework (MIL-96) with a larger particle size and different crystal habits. A low cost and water-soluble polymer, hydrolyzed polyacrylamide (HPAM), was added in varying quantities into the synthesis reaction to achieve >200% particle size enlargement with controlled crystal morphology. The modified adsorbent, MIL-96-RHPAM2, was systematically characterized by SEM, XRD, FTIR, BET and TGA-MS. Using activated carbon (AC) as a reference adsorbent, the effectiveness of MIL-96-RHPAM2 for perfluorooctanoic acid (PFOA) removal from water was examined. The study confirms stable morphology of hydrated MIL-96-RHPAM2 particles as well as a superior PFOA adsorption capacity (340 mg/g) despite its lower surface area, relative to standard MIL-96. MIL-96-RHPAM2 suffers from slow adsorption kinetics as the modification significantly blocks pore access. The strong adsorption of PFOA by MIL-96-RHPAM2 was associated with the formation of electrostatic bonds between the anionic carboxylate of PFOA and the amine functionality present in the HPAM backbone. Thus, the strongly held PFOA molecules in the pores of MIL-96-RHPAM2 were not easily desorbed even after eluted with a high ionic strength solvent (500 mM NaCl). Nevertheless, this simple HPAM addition strategy can still chart promising pathways to impart judicious control over adsorbent particle size and crystal shapes while the introduction of amine functionality onto the surface chemistry is simultaneously useful for enhanced PFOA removal from contaminated aqueous systems.</p>
Growth of carbon nanofibres on molybdenum carbide nanowires and their self-decoration with noble-metal nanoparticles
<p>High specific surface area makes carbon nanofibres suitable for catalyst support. Here we report on optimisation of carbon nanofibre (CNF) growth on molybdenum carbide nanowires (MoCNW) by direct carburization of Mo<sub>6</sub>S<sub>2</sub>I<sub>8</sub> nanowire bundles. Typical CNFs obtained by this method are several hundreds of nanometres long at a diameter of 10-20 nm. We show that nanofibre growth does not depend on the initial morphology of the nanowires: nanofibres grow on individual bundles of MoCNW, on dense networks of nanowires deposited on silicon substrate, and on free-standing nanowire foils. We find that carbon nanofibres remain firmly attached to the nanowires even if they are modified into Mo<sub>2</sub>C and further into MoS<sub>2</sub> nanowires. The method thus enables production of a novel hybrid material composed of MoS<sub>2</sub> nanowires densely covered with carbon nanofibres. We have additionally shown that the obtained CNFs can easily be self-decorated with platinum nanoparticles with diameters of several nanometres directly from water solution at room temperature without reducing agents. Such efficient synthesis and decoration process yield hybrid platinum/CNF/molybdenum-based NW materials, which are a promising material for a wide range of possible future applications, including sensitive sensorics and improved catalysis.</p>
Dislocation Mobilities in BCC and B2 Metals as Determined from Atomistic Simulations
<p>Data regarding the velocity of dislocations subjected to different stresses at temperatures determined by molecular dynamics simulations in a tar file.</p> <p>The simulation setup and main results are presented in<br> Setup_and_resulting_plots.pdf</p> <p>The folder RESULTS contains the results for edge dislocations in the folder EDGE-DISLOCATION and the results of screw dislocations in the folder SCREW-DISLOCATION</p> <p>Two types of resulting data are provided in RESULTS:<br> - Steady state velocities (6th column, unit Angstrom/ps) as function of shear stress (2nd column, unit MPa) and temperature (1st column, unit Kelvin),<br> these are named: v_tau_T*.dat<br> - Dislocation position (2nd column, unit Angstrom) as function of time (1st column, unit ps) for different dislocations, stress and temperature,<br> these are named: x_t_T*K_tau*MPa_*.dat</p> <p># Studied Materials/crystal structures<br> Fe/bcc<br> W/bcc<br> NiAl/B2</p> <p># Studied potentials:<br> Fe_Chiesa : https://www.ctcms.nist.gov/potentials/entry/2011--Chiesa-S-Derlet-P-M-Dudarev-S-L-Swygenhoven-H-V--Fe-33/<br> Fe_Mendelev_II: https://www.ctcms.nist.gov/potentials/entry/2003--Mendelev-M-I-Han-S-Srolovitz-D-J-et-al--Fe-2/<br> W_Wang : https://www.ctcms.nist.gov/potentials/entry/2013--Wang-J-Zhou-Y-L-Li-M-Hou-Q--W/<br> NiAl_Pun : https://www.ctcms.nist.gov/potentials/entry/2009--Purja-Pun-G-P-Mishin-Y--Ni-Al/</p> <p># Studied dislocations / Potential / Temparature<br> perfect edge dislocation / Fe_Chiesa / 30K<br> perfect edge dislocation / Fe_Chiesa / 300K<br> perfect edge dislocation / Fe_Mendelev_II / 30K<br> perfect edge dislocation / Fe_Mendelev_II / 300K<br> perfect edge dislocation / W_Wang / 30K<br> perfect edge dislocation / W_Wang / 300K<br> perfect edge dislocation / NiAl_Pun / 30K<br> perfect edge dislocation / NiAl_Pun / 300K<br> perfect screw dislocation / NiAl_Pun / 30K</p> <p>The files necessary to reproduce the results in the folder SIMULATION-FILES and described there.</p>
Data from: The rainfall effect onto solidification and stabilization of heavy metal-polluted sediments
Rainfall makes impacts on process of solidification/stabilization and the long-term safety of solidified matrix. In this study, the effect of rainfall on solidification/stabilization process was investigated by rainfall test. The unconfined compressive strength (UCS) and toxicity characteristic leaching procedure (TCLP) were adopted to characterize the properties of S/S sediments before and after rainfall test. The samples cured for 28 days were subjected to semi-dynamic leaching tests with a simulated acidic leachant prepared at pH of 2.0, 4.0 and 7.0. Effectiveness of S/S treatment was evaluated by diffusion coefficient (D_e) and leachability index (LX). The results indicated that UCS decreased at maximum deterioration rate of 34.29% of the compressive strength after 7 days of curing, along with minimum rate of 7.89% after 28 days by rainfall, with >14 days referred. The rainfall had little effect on the leaching characteristics of heavy metals during the curing process. The simulated acid rain could make significant impacts on the leaching behavior of the heavy metals in the S/S materials. All cumulative fraction of leached heavy metals were less than 2.0 % which showed the good stabilization of cement. Furthermore, the calculated diffusion coefficient (D_e) for Cu was 1.28×10-11〖cm〗^2/s, indicating that its mobility was relatively low of heavy in S/S sediments. The calculated diffusion coefficient (Di) for Cd, Cu and Pb were 7.44×10-11, 8.18×10-12 and 7.85×10-12〖cm〗^2/s respectively, indicating that its mobility was relatively low of heavy metal in S/S sediments.
Long-Term Stable Metal Organic Framework (MOF) Based Mixed Matrix Membranes for Ultrafiltration
<p><strong>Preprint available here:</strong> Al-shaeli, Muayad; Smith, Stefan J. D.; Jiang, Shanxue; Wang, Huanting; Zhang, Kaisong; Ladewig, Bradley P. (2020): Long-Term Stable Metal Organic Framework (MOF) Based Mixed Matrix Membranes for Ultrafiltration. ChemRxiv. Preprint. <a href="https://doi.org/10.26434/chemrxiv.13399367.v1">https://doi.org/10.26434/chemrxiv.13399367.v1</a></p> <p>Published manuscript: Muayad Al-Shaeli, Stefan J.D. Smith, Shanxue Jiang, Huanting Wang, Kaisong Zhang, Bradley P. Ladewig,<br> Long-term stable metal organic framework (MOF) based mixed matrix membranes for ultrafiltration,<br> Journal of Membrane Science, 2021, 119339, <a href="https://doi.org/10.1016/j.memsci.2021.119339">https://doi.org/10.1016/j.memsci.2021.119339</a></p> <p><strong>Abstract</strong></p> <p>In this study, novel mixed matrix membranes (MMMs) were synthesized by adding metal organic frameworks (MOFs) (UiO-66 and UiO-66-NH<sub>2</sub>) to pristine and sulfonated polyethersulfone (PES). The differing synthetic method resulting in MMM where additives were grafted to the matrix polymer, or formed a natural interface, allowing the impact of these MMM features to be investigated. The composite membranes were characterised by FTIR, PXRD, water contact angle, porosity, pore size, etc. Membrane performance was investigated by water permeation flux, flux recovery ratio, fouling resistance and anti-fouling performance. The stability test was also conducted for all the prepared mixed matrix membranes. A higher reduction in the water contact angle was observed after adding both MOFs to the PES and sulfonated PES membranes compared to pristine PES membranes. An enhancement in membrane performance was observed by embedding the MOFs into PES membrane matrix, with flux increased remarkably (565 LMH for PES+UiO-66-NH<sub>2</sub> at 5% loading and 487.1 LMH for SPES-UiO-66(10% binding) while the BSA rejection was still kept at a high level. By adding the MOFs into PES matrix, the flux recovery ratio was increased greatly (more than 99% for most mixed matrix membranes). The mixed matrix membranes showed higher resistance to protein adsorption compared to pristine PES membranes. After immersing the membranes in water for 3 months, 6 months and 12 months, both MOFs were stable and retained their structure. This study indicates that UiO-66 and UiO-66-NH<sub>2</sub> are great candidates for designing long-term stable mixed matrix membranes (MMMs) for applications in water and wastewater treatment.</p>
Photoinduced metallization of the ZnO surface monitored with time- and angle-resolved photoelectron spectroscopy
<p>Pump-probe angle-resolved photoemission spectroscopy data of ZnO(10-10) measured using a hemispheric energy analyzer and ultrashort laser pulses from a table-top laser source. Different probe photon energies are used, as indicated in the file names. The pump photon energy for both data sets is 3.43 eV, with a laser fluence of 27 microJ/cm<sup>2</sup>.</p>
Data for the article "Quantitative comparison of spin and orbital Hall and Rashba-Edelstein effects in heavy-metal/3d-metal bilayers"
<p>Data for the article "Quantitative comparison of spin and orbital Hall and Rashba-Edelstein effects in heavy-metal/3d-metal bilayers" (<a href="https://arxiv.org/abs/2004.11942">[2004.11942] Quantitative comparison of spin and orbital Hall and Rashba-Edelstein effects in heavy-metal/3d-metal bilayers (arxiv.org)</a>)</p>
Data associated to the article "A semiclassical Thomas–Fermi model to tune the metallicity of electrodes in molecular simulations"
<p>Contains input files and data used to generate the figures of the article:</p> <p>A semiclassical Thomas–Fermi model to tune the metallicity of electrodes in molecular simulations</p> <p>Laura Scalfi, Thomas Dufils, Kyle G. Reeves, Benjamin Rotenberg and Mathieu Salanne, J. Chem. Phys. 153, 174704 (2020)</p> <p>https://doi.org/10.1063/5.0028232</p> <p>The folder typical_input_files contains typical MetalWalls input files used to perform the simulations.</p> <p>The folder DATA_FIGURES contains the processed data used to plot all the figures of the paper.</p>
Seal. Rectangular metal seal cast in a copper alloy; one-line inscription
<p>Seal. Rectangular metal seal cast in a copper alloy; one-line inscription. British Museum 1892,1103.95.</p> <p> </p>
Metal Object, St Mawes Harbour, Cornwall
An iron object affixed onto the rocks at St Mawes, Cornwall. Perhaps once part of a ship. Created in Metashape with 37 photos. Source: Objaverse 1.0 / Sketchfab
Metal "kontusz" knob
Knob is a decorative button for a nobleman's attire "kontusz". ID no.: MCh-S/553 Museum: Irena and Mieczysław Mazaraki Museum in Chrzanów https://muzea.malopolska.pl/pl/lista-obiektow/2692 Digitalisation: RDW MIC, Virtual Małopolska project Source: Objaverse 1.0 / Sketchfab
Metal Key
3D model of a metal key measuring 8,5 cm in length. Physical object held at the National Museum of Iceland nr: 2008-36-0146. Found 20/06/2008 by HBH/HK https://sarpur.is/Adfang.aspx?AdfangID=471782 Part of the Skriðuklaustur Monastery 1550 reconstruction. Digitisation by Open Virtual Worlds, a research team within the School of Computer Science, University of St Andrews, in cooperation with the Gunnar Gunnarsson Institute at Skriðuklaustur and the National Museum of Iceland. 3D digitisation was done by Catherine Cassidy and Iain Oliver with archaeological assistance provided by Skúli Gunnarsson. Funded by the EU Northern Periphery and Arctic Programme 2014-2020 through the "Connected Culture and Natural Heritage in a Northern Environment" (CINE) project. Source: Objaverse 1.0 / Sketchfab
Woman metal statue
Woman statue retopologized from original model : Original hand model :https://sketchfab.com/dikart. Made with Zbrush, 3ds max, Topogun and Substance painter. UV mapped. 2 materials. 2048 textures size. Source: Objaverse 1.0 / Sketchfab
Metal Crate
Metal Crate Modeled in Blender and Textured in Substance Painter. Initially I was planning on making a Sci-fi crate but towards then end it didn't look very Sci-fi so now its a metal crate :P Watch the Video Process: https://youtu.be/s8k1gBhVnus Source: Objaverse 1.0 / Sketchfab
Metal Pot Leg
3D model of a leg piece of an iron pot. Physical object held at the National Museum of Iceland nr: 2006-36-0847 https://sarpur.is/Adfang.aspx?AdfangID=16337 Part of the Skriðuklaustur Monastery 1550 reconstruction. Digitisation by Open Virtual Worlds, a research team within the School of Computer Science, University of St Andrews, in cooperation with the Gunnar Gunnarsson Institute at Skriðuklaustur and the National Museum of Iceland. 3D digitisation was done by Catherine Cassidy and Iain Oliver with archaeological assistance provided by Skúli Gunnarsson. Funded by the EU Northern Periphery and Arctic Programme 2014-2020 through the "Connected Culture and Natural Heritage in a Northern Environment" (CINE) project. Source: Objaverse 1.0 / Sketchfab
Ancient Roman furniture: metal brazier
Roman furniture; Metal brazier Roman metal brazier found in Roman house (domus) as light and heat source. Source: Objaverse 1.0 / Sketchfab
Vintage Rustic Metal Urn Planter - RAW Scan
* 54 Photos * IIIII * Reconstructed in Agisoft Photoscan * IIIII * 8k texture Source: Objaverse 1.0 / Sketchfab
A leather belt decorated with metal ornaments
A leather belt decorated with metal ornaments: a prop from the School of Fine Arts ID no.: Rz A 163 Museum of the Academy of Fine Arts in Kraków https://muzea.malopolska.pl/en/objects-list/2228 Digitalisation: RDW MIC, Virtual Małopolska project Source: Objaverse 1.0 / Sketchfab
Little Prince - Metal_01 - Ancient Rome Bust
Profecional - Ancient Rome Bust - Little Prince. Material: Metal. Create from 3D scanning bust. Real world scale (cm) and are centered at origin. Object Dimensions: X 40.4cm / Y 46cm / Z 61.5cm. Polygons: 1891. Low polygonal High Quality mesh. Hand made retopology. Only quads polygons. Hand made Unwrapped UVs - Non-overlapping. Materials are PBR (Physically-Based Rendering). High resolution Texture 4K - 4096x4096. Download other models for different game/render engine, ready for use - herosstudio.eu - BSDF Princeple Pixar shader - Clarisse iFX - Cycles-EEVEE - Blender, Cinema 4D - Renderman - Blender, Maya, Houdini, Katana - Corona - 3D Studio Max, Cinema 4D - MODO - PBR Metal Rough - Arnold - 3D Studio Max, Maya, Cinema 4D,Houdini, Katana - Octane - 3D Studio Max, Maya, Blender, Cinema 4D, Houdini, LightWave, MODO, NUKE, SketchUp - Redshift - 3D Studio Max, Maya, C4D, Houdini, Katana - iClone - Unity - Unreal - Vray - 3D Studio Max, Maya, Blender, Cinema 4D, MODO, NUKE, Katana, SketchUp, Unreal Source: Objaverse 1.0 / Sketchfab
ScienceDex guides
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These curated guides explain access requirements, typical timelines, costs, and reuse considerations for widely used research datasets.
Allen Brain Atlas
Allen Brain Atlas is an Allen Institute collection of brain map atlases, datasets, APIs, and analysis tools covering mouse, human, and non-human primate brain resources.
Annotated Behaviour and Observability Dataset (ABODe)
ABODe is a University of Edinburgh DataShare dataset for behavior classification in group-housed mice using home-cage video, identities, bounding boxes, ground-plate positions, and annotator labels.
DANDI Archive for NWB datasets
DANDI is a BRAIN Initiative archive for publishing and sharing neurophysiology data, including electrophysiology, optophysiology, and behavioral data packaged as NWB and related standards.
International Brain Laboratory public data
The International Brain Laboratory public data releases expose standardized mouse decision-making experiments, including Neuropixels recordings, widefield calcium imaging, behavior, and session metadata accessed through the ONE API.
OpenNeuro
OpenNeuro is a free, open platform for sharing neuroimaging datasets, with public search, dataset pages, and download paths for web, S3, DataLad, and the OpenNeuro CLI.